Bisacurone B

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  • Identifiers

    CAS number
    127214-85-1

    Molecular formula
    C15H24O3

    SMILES
    C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H]([C@@](C=C1)(C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Mint 40.41%
    Woody 38.88%
    Sweet 34.62%
    Floral 34.14%
    Spicy 28.12%
    Herbal 27.74%
    Odorless 27.36%
    Cooling 26.93%
    Citrus 23.96%
    Dry 23.07%

     

    Flavor
    Minty 39.8%
    Herbal 33.15%
    Bitter 30.89%
    Fresh 24.2%
    Mint 21.93%
    Spice 21.09%
    Herb 20.73%
    Spicy 20.67%
    Leaves 20.51%
    Cedarleaf 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.12 (weak base)

    Molecular weight
    252.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    389°C

    Flash point

    • 166.25 ˚C est.

  • Synonyms

    • (+)-Bisacurone B
    • Bisacurone B
    • 127214-85-1
    • NA37AH8VXY
    • 2-Hepten-4-one, 6-[(1R,4S,5R)-4,5-dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-, (6S)-
    • UNII-NA37AH8VXY
    • (6S)-6-((1R,4S,5R)-4,5-Dihydroxy-4-methyl-2-cyclohexen-1-yl)-2-methyl-2-hepten-4-one
    • (6S)-6-[(1R,4S,5R)-4,5-DIHYDROXY-4-METHYLCYCLOHEX-2-EN-1-YL]-2-METHYLHEPT-2-EN-4-ONE
    • 2-Hepten-4-one, 6-((1R,4S,5R)-4,5-dihydroxy-4-methyl-2-cyclohexen-1-yl)-2-methyl-, (6S)-
    • (6S)-6-[(1R,4S,5R)-4,5-Dihydroxy-4-methyl-2-cyclohexen-1-yl]-2-methyl-2-hepten-4-one
    • orb1990791
    • SCHEMBL20138469
    • DTXSID301316738
    • (6S)-6-[(1R,4S,5R)-4,5-dihydroxy-4-methyl-cyclohex-2-en-1-yl]-2-methyl-hept-2-en-4-one
    • 127214-85-1

  • Applications

    Bisacurone B is commonly evaluated as a fragrance-related aroma compound and may be used in perfumery and flavor formulations, often as a minor component or odorant. It is also considered as an intermediate in organic synthesis for the production of aroma-related materials and other specialty chemicals in industrial manufacturing. In cosmetics and personal care, it may be incorporated into fragrance formulations or used as a sensory enhancer, subject to formulation limits. In household cleaning products, it can serve as a scent additive to improve product esthetics. In coatings and inks, it may be used as an odorant additive to impart or stabilize fragrance in surface coatings. Its exact utility depends on purity, regulatory status, and compatibility with formulation matrices.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 545.91
    methanol 810.57
    isopropanol 350.87
    water 2.17
    ethyl acetate 110.45
    n-propanol 283.51
    acetone 170.01
    n-butanol 225.2
    acetonitrile 72.59
    DMF 216.95
    toluene 48.64
    isobutanol 145.97
    1,4-dioxane 451.4
    methyl acetate 92.12
    THF 606.98
    2-butanone 104.88
    n-pentanol 140.87
    sec-butanol 159.78
    n-hexane 3.54
    ethylene glycol 66.81
    NMP 97.99
    cyclohexane 7.06
    DMSO 247.58
    n-butyl acetate 74.65
    n-octanol 79.45
    chloroform 143.84
    n-propyl acetate 63.85
    acetic acid 211.02
    dichloromethane 92.29
    cyclohexanone 132.02
    propylene glycol 147.87
    isopropyl acetate 78.94
    DMAc 185.43
    2-ethoxyethanol 266.73
    isopentanol 151.35
    n-heptane 3.71
    ethyl formate 77.26
    1,2-dichloroethane 56.33
    n-hexanol 165.09
    2-methoxyethanol 510.02
    isobutyl acetate 55.14
    tetrachloromethane 14.76
    n-pentyl acetate 54.75
    transcutol 569.86
    n-heptanol 84.87
    ethylbenzene 29.79
    MIBK 77.55
    2-propoxyethanol 300.59
    tert-butanol 353.83
    MTBE 121.19
    2-butoxyethanol 163.51
    propionic acid 90.8
    o-xylene 32.16
    formic acid 136.67
    diethyl ether 99.5
    m-xylene 41.79
    p-xylene 38.3
    chlorobenzene 43.06
    dimethyl carbonate 35.02
    n-octane 3.28
    formamide 140.75
    cyclopentanone 139.09
    2-pentanone 93.02
    anisole 82.45
    cyclopentyl methyl ether 118.74
    gamma-butyrolactone 138.82
    1-methoxy-2-propanol 344.03
    pyridine 124.29
    3-pentanone 49.58
    furfural 137.46
    n-dodecane 3.53
    diethylene glycol 268.59
    diisopropyl ether 27.91
    tert-amyl alcohol 164.65
    acetylacetone 118.73
    n-hexadecane 3.91
    acetophenone 67.95
    methyl propionate 69.27
    isopentyl acetate 80.11
    trichloroethylene 109.16
    n-nonanol 71.19
    cyclohexanol 109.31
    benzyl alcohol 92.64
    2-ethylhexanol 63.14
    isooctanol 60.89
    dipropyl ether 46.04
    1,2-dichlorobenzene 39.44
    ethyl lactate 54.85
    propylene carbonate 83.08
    n-methylformamide 119.24
    2-pentanol 113.2
    n-pentane 3.69
    1-propoxy-2-propanol 183.96
    1-methoxy-2-propyl acetate 115.34
    2-(2-methoxypropoxy) propanol 132.93
    mesitylene 26.86
    ε-caprolactone 118.93
    p-cymene 21.84
    epichlorohydrin 184.63
    1,1,1-trichloroethane 46.66
    2-aminoethanol 180.52
    morpholine-4-carbaldehyde 226.18
    sulfolane 132.23
    2,2,4-trimethylpentane 4.09
    2-methyltetrahydrofuran 213.51
    n-hexyl acetate 84.25
    isooctane 4.53
    2-(2-butoxyethoxy)ethanol 221.04
    sec-butyl acetate 51.16
    tert-butyl acetate 93.36
    decalin 5.86
    glycerin 170.48
    diglyme 298.38
    acrylic acid 71.93
    isopropyl myristate 35.91
    n-butyric acid 151.36
    acetyl acetate 66.78
    di(2-ethylhexyl) phthalate 45.66
    ethyl propionate 50.3
    nitromethane 170.68
    1,2-diethoxyethane 137.67
    benzonitrile 66.11
    trioctyl phosphate 33.57
    1-bromopropane 33.2
    gamma-valerolactone 248.37
    n-decanol 51.11
    triethyl phosphate 32.32
    4-methyl-2-pentanol 75.96
    propionitrile 61.72
    vinylene carbonate 75.24
    1,1,2-trichlorotrifluoroethane 133.71
    DMS 54.02
    cumene 24.43
    2-octanol 52.24
    2-hexanone 67.37
    octyl acetate 48.74
    limonene 29.2
    1,2-dimethoxyethane 305.04
    ethyl orthosilicate 33.33
    tributyl phosphate 34.29
    diacetone alcohol 158.89
    N,N-dimethylaniline 57.69
    acrylonitrile 63.72
    aniline 79.56
    1,3-propanediol 296.11
    bromobenzene 33.16
    dibromomethane 56.05
    1,1,2,2-tetrachloroethane 104.35
    2-methyl-cyclohexyl acetate 59.28
    tetrabutyl urea 45.42
    diisobutyl methanol 39.3
    2-phenylethanol 101.2
    styrene 32.03
    dioctyl adipate 52.8
    dimethyl sulfate 44.79
    ethyl butyrate 52.02
    methyl lactate 66.81
    butyl lactate 68.04
    diethyl carbonate 34.61
    propanediol butyl ether 171.04
    triethyl orthoformate 45.69
    p-tert-butyltoluene 22.97
    methyl 4-tert-butylbenzoate 78.42
    morpholine 480.52
    tert-butylamine 140.27
    n-dodecanol 36.77
    dimethoxymethane 210.59
    ethylene carbonate 65.88
    cyrene 106.1
    2-ethoxyethyl acetate 92.6
    2-ethylhexyl acetate 54.37
    1,2,4-trichlorobenzene 46.25
    4-methylpyridine 107.87
    dibutyl ether 48.64
    2,6-dimethyl-4-heptanol 39.3
    DEF 76.8
    dimethyl isosorbide 171.55
    tetrachloroethylene 65.33
    eugenol 90.79
    triacetin 80.48
    span 80 121.89
    1,4-butanediol 105.55
    1,1-dichloroethane 58.92
    2-methyl-1-pentanol 104.34
    methyl formate 89.21
    2-methyl-1-butanol 115.04
    n-decane 6.17
    butyronitrile 88.21
    3,7-dimethyl-1-octanol 65.31
    1-chlorooctane 25.51
    1-chlorotetradecane 10.59
    n-nonane 5.17
    undecane 4.5
    tert-butylcyclohexane 6.22
    cyclooctane 3.18
    cyclopentanol 111.51
    tetrahydropyran 259.46
    tert-amyl methyl ether 66.87
    2,5,8-trioxanonane 212.97
    1-hexene 19.76
    2-isopropoxyethanol 162.02
    2,2,2-trifluoroethanol 47.18
    methyl butyrate 65.55

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction